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Ligand

NameSCHEMBL1717023
Molecular formulaC21H25FN2O3
IUPAC name(2-ethoxyphenyl)-[(2R,5R)-5-[(5-fluoropyridin-2-yl)oxymethyl]-2-methylpiperidin-1-yl]methanone
Molecular weight372.44
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP3.9
SynonymsUS8569311, 1-24
CHEMBL3655677
BDBM104704
Inchi KeyQGSQYXJYCQQUOQ-HZPDHXFCSA-N
Inchi IDInChI=1S/C21H25FN2O3/c1-3-26-19-7-5-4-6-18(19)21(25)24-13-16(9-8-15(24)2)14-27-20-11-10-17(22)12-23-20/h4-7,10-12,15-16H,3,8-9,13-14H2,1-2H3/t15-,16-/m1/s1
PubChem CID25126846
ChEMBLCHEMBL3655677
IUPHARN/A
BindingDB104704
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
277891Orexin receptor type 1P56718Hcrtr1Rattus norvegicus (Rat)416
277890Orexin receptor type 2P56719Hcrtr2Rattus norvegicus (Rat)460

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